cis-2-Hydroxycyclohexanecarboxamide

Base Information

Chemical Name:cis-2-Hydroxycyclohexanecarboxamide
CAS No.:73045-98-4
Molecular Formula:C₇H₁₃NO₂
Molecular Weight:143.186
Hs Code.:29242998
DSSTox Substance ID:DTXSID20361468
Nikkaji Number:J1.492.519H
Wikidata:Q82143810
Mol file:73045-98-4.mol

Synonyms:73045-98-4;cis-2-Hydroxycyclohexanecarboxamide;(1R,2S)-2-hydroxycyclohexane-1-carboxamide;Cis-hexahydrosalicylamide;SCHEMBL3916539;DTXSID20361468;AKOS006237197;AG-G-88449;(1R,2S)-2-hydroxycyclohexanecarboxamide;(HYDROXYAMIDINO)-ACETICACIDETHYLESTER;cyclohexanecarboxamide, 2-hydroxy-, (1s,2r)-;(1R)-2beta-Hydroxycyclohexane-1beta-carboxamide;cis-2-Hydroxy-1-cyclohexanecarboxamide, AldrichCPR

Suppliers and Price of cis-2-Hydroxycyclohexanecarboxamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of cis-2-Hydroxycyclohexanecarboxamide

Chemical Property:

Vapor Pressure:2.22E-06mmHg at 25°C
Melting Point:115-119 °C
Refractive Index:1.4610 (estimate)
Boiling Point:352.6°C at 760 mmHg
Flash Point:167°C
PSA：63.32000
Density:1.174g/cm³
LogP:0.72310
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:143.094628657
Heavy Atom Count:10
Complexity:136

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 36/37/38-20/22
Safety Statements: 37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(C(C1)C(=O)N)O
Isomeric SMILES:C1CC[C@@H]([C@@H](C1)C(=O)N)O

Technology Process of cis-2-Hydroxycyclohexanecarboxamide

There total 7 articles about cis-2-Hydroxycyclohexanecarboxamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 48.0%

: 63301-31-5,125291-55-6
trans-2-cyanocyclohexanol

: 24947-95-3,73045-98-4,86009-76-9,216879-15-1
trans-2-aminocyclohexanecarboxylic acid amide

Guidance literature:: With nitrile hydratase from Rhodococcus equi A₄; In methanol; phosphate buffer; at 30 ℃; for 3.5h; pH=7.5;
DOI:10.1139/v01-205

Reference yield:

: 1655-06-7,3444-72-2,6125-55-9,6149-52-6,29569-79-7,61586-78-5,77026-73-4,119068-36-9,119068-37-0
cis-ethyl 2-hydroxy-cyclohexanoate

: 24947-95-3,73045-98-4,86009-76-9,216879-15-1
cis-2-aminocyclohexanecarboxylic acid amide

Guidance literature:: With ammonium hydroxide;
DOI:10.1021/jo01199a008

Reference yield:

: 118-61-6
2-hydroxy-benzoic acid ethyl ester

: 24947-95-3,73045-98-4,86009-76-9,216879-15-1
cis-2-aminocyclohexanecarboxylic acid amide

Guidance literature:: Multi-step reaction with 2 steps

1: Raney nickel; ethanol / 190 °C / 128714 Torr / Hydrogenation

2: aqueous ammonia

With ammonium hydroxide; ethanol; nickel;
DOI:10.1021/jo01199a008